(6Z)-6-[4-(4-Bromophenyl)-5-Prop-2-Enylsulfanyl-2H-1,2,4-Triazol-3-Ylidene]Cyclohexa-2,4-Dien-1-One
[CAS# 81518-40-3]

Identification

• Name: (6Z)-6-[4-(4-Bromophenyl)-5-Prop-2-Enylsulfanyl-2H-1,2,4-Triazol-3-Ylidene]Cyclohexa-2,4-Dien-1-One
• Synonyms: (6Z)-6-[5-Allylsulfanyl-4-(4-Bromophenyl)-2H-1,2,4-Triazol-3-Ylidene]Cyclohexa-2,4-Dien-1-One; (6Z)-6-[5-(Allylthio)-4-(4-Bromophenyl)-2H-1,2,4-Triazol-3-Ylidene]-1-Cyclohexa-2,4-Dienone; (6Z)-6-[5-(Allylthio)-4-(4-Bromophenyl)-2H-1,2,4-Triazol-3-Ylidene]Cyclohexa-2,4-Dien-1-One
• Molecular Formula: C₁₇H₁₄BrN₃OS
• Molecular Weight: 388.28
• CAS Registry Number: 81518-40-3
• SMILES: C3=C(N1\C(NN=C1SCC=C)=C2\C(=O)C=CC=C2)C=CC(=C3)Br
• InChI: 1S/C17H14BrN3OS/c1-2-11-23-17-20-19-16(14-5-3-4-6-15(14)22)21(17)13-9-7-12(18)8-10-13/h2-10,19H,1,11H2/b16-14+
• InChIKey: LVYJFYAJGATUAG-JQIJEIRASA-N

Properties

• Density: 1.468g/cm³ (Cal.)
• Boiling point: 494.3°C at 760 mmHg (Cal.)
• Flash point: 252.744°C (Cal.)